2-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]-2-oxidanyl-ethanoic acid Openeye Name: 2-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]-2-hydroxy-acetic acid CAS Name: 2-[[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]-oxomethyl]amino]-2-hydroxyacetic acid IUPAC Name: 2-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]-2-hydroxyacetic acid Traditional Name: 2-[[4-[[1H-benzimidazol-2-yl-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]-2-hydroxy-acetic acid Formula: C27H34N4O4 MolecularWeight: 478.58326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NC(C(=O)O)O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NC(C(=O)O)O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C27H34N4O4/c1-27(2,3)19-12-14-20(15-13-19)31(26-28-21-6-4-5-7-22(21)29-26)16-17-8-10-18(11-9-17)23(32)30-24(33)25(34)35/h4-11,19-20,24,33H,12-16H2,1-3H3,(H,28,29)(H,30,32)(H,34,35)